propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))

C116H182N16V11 — CID 160794973

IUPACpropane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))
SMILESCC(C)c1c[c-]ccc1.CC(C)c1c[c-]ccn1.CC(C)c1c[c-]cnc1.CC(C)c1c[c-]cnn1.CC(C)c1c[c-]ncc1.CC(C)c1c[c-]ncn1.CC(C)c1c[c-]nnc1.CC(C)c1ccc[c-]n1.CC(C)c1ccn[c-]n1.CC(C)c1cnc[c-]n1.CC(C)c1n[c-]ccn1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2]
InChIInChI=1S/C9H11.4C8H10N.6C7H9N2.11C3H7.11V/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;11*1-3-2;;;;;;;;;;;/h3-4,6-8H,1-2H3;3-5,7H,1-2H3;2*4-7H,1-2H3;3-5,7H,1-2H3;2*3,5-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;11*3H,1-2H3;;;;;;;;;;;/q22*-1;11*+2
InChIKeyQKHKWOIDJGMBAN-UHFFFAOYSA-N
MW2361.23 g/mol
LogP32.54
Rot. Bonds11

About propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))

propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) (PubChem CID 160794973) has the molecular formula C116H182N16V11 and a molecular weight of 2361.23 g/mol. Its IUPAC name is propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)).

Molecular Properties

Compound Namepropane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))
PubChem CID160794973
Molecular FormulaC116H182N16V11
Molecular Weight2361.23 g/mol
Exact Mass2359.86
IUPAC Namepropane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))
SMILESCC(C)c1c[c-]ccc1.CC(C)c1c[c-]ccn1.CC(C)c1c[c-]cnc1.CC(C)c1c[c-]cnn1.CC(C)c1c[c-]ncc1.CC(C)c1c[c-]ncn1.CC(C)c1c[c-]nnc1.CC(C)c1ccc[c-]n1.CC(C)c1ccn[c-]n1.CC(C)c1cnc[c-]n1.CC(C)c1n[c-]ccn1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2]
InChIInChI=1S/C9H11.4C8H10N.6C7H9N2.11C3H7.11V/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;11*1-3-2;;;;;;;;;;;/h3-4,6-8H,1-2H3;3-5,7H,1-2H3;2*4-7H,1-2H3;3-5,7H,1-2H3;2*3,5-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;11*3H,1-2H3;;;;;;;;;;;/q22*-1;11*+2
InChIKeyQKHKWOIDJGMBAN-UHFFFAOYSA-N
XLogP32.54
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002361.23
LogP ≤ 532.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))?
The IUPAC name of propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) (CID 160794973) is propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)).
What is the SMILES notation for propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))?
The canonical SMILES for propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) is CC(C)c1c[c-]ccc1.CC(C)c1c[c-]ccn1.CC(C)c1c[c-]cnc1.CC(C)c1c[c-]cnn1.CC(C)c1c[c-]ncc1.CC(C)c1c[c-]ncn1.CC(C)c1c[c-]nnc1.CC(C)c1ccc[c-]n1.CC(C)c1ccn[c-]n1.CC(C)c1cnc[c-]n1.CC(C)c1n[c-]ccn1.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.C[CH-]C.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].
What is the InChIKey of propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))?
The InChIKey is QKHKWOIDJGMBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11.4C8H10N.6C7H9N2.11C3H7.11V/c1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;11*1-3-2;;;;;;;;;;;/h3-4,6-8H,1-2H3;3-5,7H,1-2H3;2*4-7H,1-2H3;3-5,7H,1-2H3;2*3,5-6H,1-2H3;3-4,6H,1-2H3;3,5-6H,1-2H3;3-4,6H,1-2H3;4-6H,1-2H3;11*3H,1-2H3;;;;;;;;;;;/q22*-1;11*+2.
What are the key properties of propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+))?
propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) has a molecular weight of 2361.23 g/mol, XLogP of 32.54, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propan-2-ylbenzene;6-propan-2-yl-2H-pyrazin-2-ide;5-propan-2-yl-3H-pyridazin-3-ide;6-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-4H-pyridin-4-ide;4-propan-2-yl-2H-pyridin-2-ide;5-propan-2-yl-3H-pyridin-3-ide;6-propan-2-yl-2H-pyridin-2-ide;2-propan-2-yl-4H-pyrimidin-4-ide;4-propan-2-yl-2H-pyrimidin-2-ide;6-propan-2-yl-4H-pyrimidin-4-ide;undecakis(vanadium(2+)) is sourced from PubChem (CID 160794973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).